SCHEMBL26102475

SCHEMBL26102475

COc1cc2c(-c3ccc(CC(C)(C(N)=O)c4ccc(C(F)(F)F)cc4)cc3)ncnc2cc1O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.44
▸ KIT P10721 2/20 0.40
▸ AURKB Q96GD4 2/20 0.39
▸ ENPP1 P22413 2/20 0.39
▸ EGFR P00533 4/20 0.39
▸ BRAF P15056 3/20 0.39
▸ AURKA O14965 2/20 0.39
▸ MAPK7 Q13164 1/20 0.39
▸ PDK1 Q15118 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.37
▸ RAF1 P04049 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26098271 0.87 EGFR (0.46) KDRKITAURKBEGFRBRAF
SCHEMBL26100901 0.81 KDR (0.44) KDRKITAURKBENPP1EGFR
SCHEMBL26098922 0.80 KDR (0.52) KDRKITAURKBBRAFAURKA
SCHEMBL26101061 0.78 KDR (0.54) KDRAURKBEGFRBRAFAURKA
SCHEMBL26101616 0.77 ENPP1 (0.45) KDRKITAURKBENPP1EGFR
SCHEMBL30891796 0.75 KDR (0.50) KDRAURKBEGFRBRAFAURKA
SCHEMBL29238225 0.75 KDR (0.50) KDRAURKBEGFRBRAFAURKA
SCHEMBL26101411 0.74 ENPP1 (0.47) KDRKITENPP1EGFRBRAF
SCHEMBL26101620 0.72 KIT (0.46) KDRKITAURKBENPP1EGFR
SCHEMBL26101028 0.71 AURKB (0.47) KDRKITAURKBEGFRBRAF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023075529-A1 QUINAZOLINE DERIVATIVE COMPOUND AND USE THEREOF 보로노이바이오 주식회사 2023-05-04 — — WO claimed
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